| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:41 UTC |
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| Update Date | 2025-03-21 18:06:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066156 |
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| Frequency | 46.2 |
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| Structure | |
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| Chemical Formula | C16H19NO2S |
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| Molecular Mass | 289.1136 |
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| SMILES | COc1c(C)cnc(CS(=O)c2ccc(C)cc2)c1C |
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| InChI Key | JUHNQHUSZAJADG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenyl sulfoxides |
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| Direct Parent | phenyl sulfoxides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfinyl compoundssulfoxidestoluenes |
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| Substituents | etheraromatic heteromonocyclic compoundpolyhalopyridinealkyl aryl etherorganosulfur compoundorganic oxidephenyl sulfoxidesulfinyl compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundsulfoxidehydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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